UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methyl-1H-pyrazol-5-amine 3-(2,3-dihydro-1,4-benzodioxin-6…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.48 3.59 -30.08 3 5 1 60 232.263 2 ↓
Mid Mid (pH 6-8) 1.48 3.47 -10.13 2 5 0 59 231.255 2 ↓

Analogs

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Popular Name: N'-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-pyrazol-4-yl]methyl]-N-ethyl-N-methyl-ethane-1,2-diamin N'-[[3-(2,3-dihydro-1,4-benzodio…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.39 5.86 -45.62 3 6 1 64 317.413 7 ↓
Mid Mid (pH 6-8) 1.39 5.82 -41.64 3 6 1 64 317.413 7 ↓
Lo Low (pH 4.5-6) 1.39 6.23 -119.53 4 6 2 68 318.421 7 ↓

Analogs

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Popular Name: 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methyl-pyrazole-4-carbaldehyde 3-(2,3-dihydro-1,4-benzodioxin-6…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.29 4.67 -11.56 0 5 0 53 244.25 2 ↓

Analogs

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Popular Name: 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methyl-pyrazole-4-carboxylic 3-(2,3-dihydro-1,4-benzodioxin-6…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.07 5.48 -53.34 0 6 -1 76 259.241 2 ↓

Analogs

40926346
40926346

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Popular Name: 1-tert-butyl-3-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrazole-4-carbaldehyde 1-tert-butyl-3-(2,3-dihydro-1,4-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.47 6.64 -10.7 0 5 0 53 286.331 3 ↓

Analogs

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Popular Name: 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-isobutyl-pyrazole-4-carbaldehyde 3-(2,3-dihydro-1,4-benzodioxin-6…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.41 7.08 -10.49 0 5 0 53 286.331 4 ↓

Parameters Provided:

ring.id = 38539
filter.purchasability = annotated
page.format = targets
page.num = 1

Structural Results Found: (before additional filtering)

SQL Query Was

SELECT DISTINCT(ci.sub_id_fk) AS sub_id FROM catalog_item AS ci INNER JOIN catalog AS c ON ci.cat_id_fk=c.cat_id INNER JOIN hasring AS hr ON ci.sub_id_fk=hr.sub_id_fk INNER JOIN rings AS r ON hr.rings_fk=r.rings_id  WHERE r.rings_id = 38539 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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